UHW
4-(4-methylpiperazin-1-yl)sulfonylbenzaldehyde
Created: | 2021-02-23 |
Last modified: | 2024-09-27 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 34 |
Chiral Atom Count | 0 |
Bond Count | 35 |
Aromatic Bond Count | 6 |
Chemical Component Summary | |
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Name | 4-(4-methylpiperazin-1-yl)sulfonylbenzaldehyde |
Systematic Name (OpenEye OEToolkits) | 4-(4-methylpiperazin-1-yl)sulfonylbenzaldehyde |
Formula | C12 H16 N2 O3 S |
Molecular Weight | 268.332 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | CACTVS | 3.385 | CN1CCN(CC1)[S](=O)(=O)c2ccc(C=O)cc2 |
SMILES | OpenEye OEToolkits | 2.0.7 | CN1CCN(CC1)S(=O)(=O)c2ccc(cc2)C=O |
Canonical SMILES | CACTVS | 3.385 | CN1CCN(CC1)[S](=O)(=O)c2ccc(C=O)cc2 |
Canonical SMILES | OpenEye OEToolkits | 2.0.7 | CN1CCN(CC1)S(=O)(=O)c2ccc(cc2)C=O |
InChI | InChI | 1.03 | InChI=1S/C12H16N2O3S/c1-13-6-8-14(9-7-13)18(16,17)12-4-2-11(10-15)3-5-12/h2-5,10H,6-9H2,1H3 |
InChIKey | InChI | 1.03 | YIEAFXUNUVTOQC-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 59846222 |